SCHEMBL29907914

SCHEMBL29907914

O=C1c2ccccc2-c2ccc(Br)c3cccc1c23

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 2/20 0.64
KDM4E B2RXH2 2/20 0.64
MAPT P10636 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
CYP3A4 P08684 2/20 0.55
DNMT1 P26358 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
CYP1A2 P05177 3/20 0.53
CYP1B1 Q16678 11/20 0.53
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
CYP2C9 P11712 1/20 0.49
HBB P68871 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
PTPRC P08575 2/20 0.48
MEN1 O00255 1/20 0.48
CES2 O00748 1/20 0.48
APAF1 O14727 1/20 0.48
TERT O14746 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17322323 1.00 PABPC1 (0.64) PABPC1KDM4EMAPTSMN1; SMN2CYP3A4
SCHEMBL1983882 1.00 PABPC1 (0.64) PABPC1KDM4EMAPTSMN1; SMN2CYP3A4
SCHEMBL29698127 1.00 PABPC1 (0.64) PABPC1KDM4EMAPTSMN1; SMN2CYP3A4
SCHEMBL10350796 0.96 PABPC1 (0.58) PABPC1KDM4EMAPTSMN1; SMN2CYP3A4
SCHEMBL77179 0.90 CYP1B1 (0.61) PABPC1KDM4EMAPTCYP1A2CYP1B1
SCHEMBL29583035 0.90 CYP1B1 (0.61) PABPC1KDM4EMAPTCYP1A2CYP1B1
SCHEMBL663504 0.88 CYP1A2 (0.63) PABPC1KDM4EMAPTSMN1; SMN2CASP1
SCHEMBL30345509 0.88 CYP1A2 (0.63) PABPC1KDM4EMAPTSMN1; SMN2CASP1
SCHEMBL2800725 0.86 BCL2 (0.63) PABPC1KDM4EMAPTSMN1; SMN2CYP1A2
SCHEMBL13045522 0.84 PABPC1 (0.72) PABPC1KDM4EMAPTSMN1; SMN2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022206422-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING SAME, ORGANIC ELECTROLUMINESCENT APPARATUS, AND ELECTRONIC DEVICE 北京八亿时空液晶科技股份有限公司 2022-10-06 WO disclosed